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Home > Imidazoles > 1214641-84-5
1214641-84-5 | 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, hydrazide, (4S)-
CAS No: 1214641-84-5 Catalog No: AG0014ZT MDL No:MFCD00036806
Product Description
Catalog Number:
AG0014ZT
Chemical Name:
1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, hydrazide, (4S)-
CAS Number:
1214641-84-5
Molecular Formula:
C10H18N4O2S
Molecular Weight:
258.3405
MDL Number:
MFCD00036806
IUPAC Name:
5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanehydrazide
InChI:
InChI=1S/C10H18N4O2S/c11-14-8(15)4-2-1-3-7-9-6(5-17-7)12-10(16)13-9/h6-7,9H,1-5,11H2,(H,14,15)(H2,12,13,16)/t6?,7-,9?/m0/s1
InChI Key:
KOZWHQPRAOJMBN-CRMOQAEOSA-N
SMILES:
NNC(=O)CCCC[C@@H]1SCC2C1NC(=O)N2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
258.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
258.34g/mol
Monoisotopic Mass:
258.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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